SCHEMBL6531348

SCHEMBL6531348

CCc1nc2cc([N+](=O)[O-])c(Cl)cc2n1-c1ccc(CCCCC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
FAAH O00519 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.36
PGK1 P00558 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PPARG P37231 1/20 0.35
DAGLA Q9Y4D2 2/20 0.35
TBXA2R P21731 1/20 0.35
SLC22A12 Q96S37 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1625056 0.86 PGK1 (0.40) AGTR1AGTR2MEN1KMT2AALDH1A1
SCHEMBL1623967 0.85 PGK1 (0.40) AGTR1AGTR2MEN1KMT2AALDH1A1
SCHEMBL6531340 0.84 ALDH1A1 (0.36) AGTR1AGTR2MEN1KMT2AALDH1A1
SCHEMBL1625560 0.83 NPC1 (0.39) AGTR1AGTR2FAAHMEN1KMT2A
SCHEMBL7100074 0.77 NPC1 (0.42) MEN1KMT2AALDH1A1PGK1NPC1
SCHEMBL1624773 0.74 MEN1 (0.58) AGTR1AGTR2MEN1KMT2ATP53
SCHEMBL27618366 0.73 DCTPP1 (0.40) MEN1KMT2AALDH1A1PGK1NPC1
SCHEMBL1624251 0.70 S1PR1 (0.40) AGTR1AGTR2PTGDR2TBXA2R
SCHEMBL1624284 0.70 AGTR1 (0.41) AGTR1AGTR2MEN1KMT2ATP53
SCHEMBL1624194 0.69 AGTR1 (0.42) AGTR1AGTR2FAAHMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499305-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES Pfizer Japan Inc. (JP) 2005-01-26 EP disclosed
WO-2003086371-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES PFIZER JAPAN INC. (JP) 2003-10-23 WO disclosed